Atom-In-Molecule Models for Electronic Spectra of Diatomic Molecules

点击翻译按钮获取中文摘要

In this project in the Physical Chemistry Program of the Chemistry Division, Professor Robert Field of the Massachusetts Institute of Technology will study the high resolution electronic spectroscopy of various diatomic metal halides, hydrides, oxides and dimers in order to test atom-in-molecule electronic structure models. These models use atomic data to interpret, predict, and interrelate diverse properties of diatomic molecules, affording insight and identifying relationships between disparate observables. These models identify key experiments which can further test them and help provide insight into understanding more complex molecular systems. %%% In going from atoms to diatomic and larger and heavier molecules, the electronic spectra become more and more complex. The unravelling of electronic spectra provides information about the fundamental structure of the atoms and molecules, and therefore it is desirable to understand these spectra in detail. The current project will aid in the understanding of the structure of diatomic molecules and will provide an excellent framework for understanding more complex molecular systems.